(E)-4-(tert-butyl(4-methylbenzyl)amino)-4-oxobut-2-enoic acid
TL;DR: (E)-4-(tert-butyl(4-methylbenzyl)amino)-4-oxobut-2-enoic acid (CAS 313496-13-8) is a chemical compound with molecular formula C16H21NO3 and molecular weight 275.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[tert-butyl-[(4-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid
Also Known As: (E)-4-(tert-butyl(4-methylbenzyl)amino)-4-oxobut-2-enoic acid, (2E)-4-[tert-butyl(4-methylbenzyl)amino]-4-oxobut-2-enoic acid, 3-[(4-methylphenyl)methyl-tert-butyl-carbamoyl]prop-2-enoic Acid, (E)-4-[tert-butyl-[(4-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid
| Molecular Formula | C16H21NO3 |
|---|---|
| Molecular Weight | 275.15 g/mol |
| LogP | 2.76292 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.15213 |
| Heavy Atoms | 20 |
| Complexity | 509.51868 |
Chemical Identifiers
| CAS Number | 313496-13-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN(C(=O)/C=C/C(=O)O)C(C)(C)C |
Product Overview
(E)-4-(tert-butyl(4-methylbenzyl)amino)-4-oxobut-2-enoic acid (CAS 313496-13-8), with molecular formula C16H21NO3 and molecular weight 275.15 g/mol. IUPAC: (E)-4-[tert-butyl-[(4-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of (E)-4-(tert-butyl(4-methylbenzyl)amino)-4-oxobut-2-enoic acid
Property Insights of (E)-4-(tert-butyl(4-methylbenzyl)amino)-4-oxobut-2-enoic acid
The XLogP value of 2.76292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-(tert-butyl(4-methylbenzyl)amino)-4-oxobut-2-enoic acid. With a topological polar surface area (TPSA) of 57.61 Ų, (E)-4-(tert-butyl(4-methylbenzyl)amino)-4-oxobut-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-(tert-butyl(4-methylbenzyl)amino)-4-oxobut-2-enoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-4-(tert-butyl(4-methylbenzyl)amino)-4-oxobut-2-enoic acid?
The CAS number of (E)-4-(tert-butyl(4-methylbenzyl)amino)-4-oxobut-2-enoic acid is 313496-13-8.
What is the molecular formula of (E)-4-(tert-butyl(4-methylbenzyl)amino)-4-oxobut-2-enoic acid?
The molecular formula of (E)-4-(tert-butyl(4-methylbenzyl)amino)-4-oxobut-2-enoic acid is C16H21NO3.
What is the molecular weight of (E)-4-(tert-butyl(4-methylbenzyl)amino)-4-oxobut-2-enoic acid?
The molecular weight of (E)-4-(tert-butyl(4-methylbenzyl)amino)-4-oxobut-2-enoic acid is 275.15 g/mol.
Where can I buy (E)-4-(tert-butyl(4-methylbenzyl)amino)-4-oxobut-2-enoic acid?
You can request a quote for (E)-4-(tert-butyl(4-methylbenzyl)amino)-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(tert-butyl(4-methylbenzyl)amino)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(tert-butyl(4-methylbenzyl)amino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.